SCHEMBL28576436

SCHEMBL28576436

COc1ccc(Cn2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(O)c2=O)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 2/20 0.75
▸ EGLN1 Q9GZT9 2/20 0.75
▸ KDM4E B2RXH2 7/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ FAAH O00519 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ P2RX3 P56373 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ IDO2 Q6ZQW0 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17005835 0.91 VEGFA (0.60) VEGFAEGLN1KDM4EKMT2AMEN1
SCHEMBL17005863 0.89 VEGFA (0.58) VEGFAEGLN1KDM4EKMT2AMEN1
SCHEMBL28566307 0.88 VEGFA (0.82) VEGFAEGLN1KMT2AMEN1FAAH
SCHEMBL28570561 0.88 VEGFA (0.79) VEGFAEGLN1KMT2AMEN1TP53
SCHEMBL17005956 0.88 VEGFA (0.56) VEGFAEGLN1KDM4EKMT2AMEN1
SCHEMBL28579853 0.87 VEGFA (0.74) VEGFAEGLN1KDM4EKMT2AMEN1
SCHEMBL28576610 0.86 VEGFA (0.65) VEGFAEGLN1KDM4EKMT2AMEN1
SCHEMBL28572828 0.86 VEGFA (0.70) VEGFAEGLN1KDM4EKMT2AMEN1
SCHEMBL28914231 0.86 VEGFA (0.76) VEGFAEGLN1FAAHIDO1TDO2
SCHEMBL28572935 0.86 VEGFA (0.76) VEGFAEGLN1TP53MAPK1IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 — — CN disclosed
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